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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 22-Mar-2023 | /ini_data_source/CuxO/surface/11/111 POSCAR_5_4 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -98.39230774; eV | |||
 | 22-Mar-2023 | /ini_data_source/CuxO/surface/11/111 POSCAR_6_1 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -90.79802482; eV | |||
 | 22-Mar-2023 | /ini_data_source/CuxO/surface/11/111 POSCAR_5_2 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -98.23603792; eV | |||
 | 22-Mar-2023 | /ini_data_source/CuxO/surface/11/111 POSCAR_5_5 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -98.49489922; eV | |||
 | 22-Mar-2023 | /ini_data_source/CuxO/surface/11/111 POSCAR_5_1 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -98.49654796; eV | |||
 | 22-Mar-2023 | /ini_data_source/CuxO/surface/11/111 POSCAR_2_2 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -119.22642178; eV | |||
 | 22-Mar-2023 | /ini_data_source/CuxO/surface/11/110 POSCAR_3_1 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -56.43683960; eV | |||
 | 22-Mar-2023 | /ini_data_source/CuxO/surface/11/110 POSCAR_2_3 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -63.00935071; eV | |||
 | 22-Mar-2023 | /ini_data_source/CuxO/surface/11/110 POSCAR_2_5 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -64.15951138; eV | |||
 | 22-Mar-2023 | /ini_data_source/CuxO/surface/11/110 POSCAR_2_4 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -64.23410209; eV |
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